3-(4-methylpiperazin-1-yl)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Chemical Structure Depiction of
3-(4-methylpiperazin-1-yl)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
3-(4-methylpiperazin-1-yl)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile
Compound characteristics
| Compound ID: | 8018-4213 |
| Compound Name: | 3-(4-methylpiperazin-1-yl)-1-(methylsulfanyl)-1-sulfanylidene-1,5,6,7-tetrahydro-1lambda~5~-pyrrolo[1,2-c][1,3,2]diazaphosphinine-4-carbonitrile |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C13 H20 N5 P S2 |
| Smiles: | CN1CCN(CC1)C1C(C#N)=C2CCCN2P(N=1)(=S)SC |
| Stereo: | ACHIRAL |
| logP: | 1.4002 |
| logD: | 1.3266 |
| logSw: | -1.3803 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.212 |
| InChI Key: | XMKHOSXTQHHNMR-IBGZPJMESA-N |